0 mol 76 unq 0 iso 0 dist 8.77218 10.8271 8.97793 5.05789 4.79949 6.81799 14.6511 9.85905 9.21694 11.0792 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 8.77218 10.8271 8.97793 8.44806 7.27693 6.42322 14.6511 9.85905 9.21694 6.48293 numMergedOcc 0
2 mol 76 unq 2 iso 0 dist 8.77218 13.1819 8.19682 5.05789 4.79949 8.83525 14.6511 9.85905 4.00608 11.0792 numMergedOcc 0
3 mol 76 unq 3 iso 0 dist 8.77218 13.1819 8.19682 8.44806 7.27693 5.77727 14.6511 9.85905 4.00608 6.48293 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 9.41191 7.32599 5.87358 4.70745 5.34214 5.94311 9.45977 7.07971 5.15674 6.8409 numMergedOcc 0
5 mol 134 unq 0 iso 0 dist 9.16358 5.0903 8.79571 11.868 8.20836 9.65798 7.07082 7.21868 5.67107 4.935 numMergedOcc 0
6 mol 178 unq 0 iso 0 dist 9.63185 6.70227 8.96511 6.80181 4.92088 7.07052 11.4463 9.11204 5.87125 7.79894 numMergedOcc 0
7 mol 195 unq 0 iso 0 dist 7.04524 10.9358 8.36117 4.52076 7.62942 9.08602 6.61895 9.03441 9.33403 8.89297 numMergedOcc 0
8 mol 195 unq 1 iso 0 dist 7.04524 7.60158 6.77578 4.52076 7.62942 8.18628 6.61895 9.03441 4.191 8.89297 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 9.44947 12.7783 5.90931 4.80028 6.85441 10.7974 14.13 7.9133 11.2106 9.54203 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 9.92165 4.40728 6.97182 13.4719 6.38157 9.26037 14.5969 7.46481 11.357 5.73082 numMergedOcc 0
11 mol 214 unq 1 iso 0 dist 9.92165 5.75872 6.1175 13.4719 6.38157 11.353 14.5969 7.46481 10.9581 5.73082 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.27093 6.92493 8.17891 5.86596 8.38865 5.92529 5.92282 5.23634 4.09934 7.3164 numMergedOcc 0
13 mol 227 unq 1 iso 0 dist 9.02226 9.72888 9.62609 5.86596 5.4694 5.23507 5.92282 6.91318 11.5454 7.3164 numMergedOcc 0
14 mol 227 unq 2 iso 0 dist 9.02226 6.92493 6.95902 5.86596 5.4694 5.92529 5.92282 6.91318 4.09934 7.3164 numMergedOcc 0
15 mol 236 unq 0 iso 0 dist 7.87233 4.71339 5.34718 15.7632 8.50331 11.6774 16.5242 9.3206 13.0765 5.59363 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.58767 10.8712 9.68513 6.60696 6.4398 6.48619 6.20523 8.82351 5.99163 6.22195 numMergedOcc 0
17 mol 238 unq 1 iso 0 dist 9.58767 8.92747 5.9216 6.60696 6.4398 5.8333 6.20523 8.82351 4.40419 6.22195 numMergedOcc 0
